Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C20H12Br2O2/c21-15-9-17(23)19(13-7-3-1-5-11(13)15)20-14-8-4-2-6-12(14)16(22)10-18(20)24/h1-10,23-24H
SMILES Oc1cc(Br)c2c(c1c1c(O)cc(c3c1cccc3)Br)cccc2
InChI Key UAOMNDAJRKOYII-UHFFFAOYSA-N
Molecular Formula C20H12Br2O2
Exact Mass 444.116 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UAOMNDAJRKOYII-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/UAOMNDAJRKOYII-UHFFFAOYSA-N/CHMO0000593.1
Version
Author Tobias Sengpiel
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-23
Related Molecule
  • 4-bromo-1-(4-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : TSE-29-Ana

    date : 20230602

    starting time : 11.22 h

    label : TSE-93

    id : 262748

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    5357175 surechembl
    15522048 pubchem
    ZAMFUS CCDC
    Molport-053-122-550 molport
    The data in this table is sourced from UniChem at EBI.